Materials Data on Ba2H6Ru by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1285094· OSTI ID:1285094

The Materials Project

Ba2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent H1- atoms to form BaH12 cuboctahedra that share corners with twelve equivalent BaH12 cuboctahedra, faces with six equivalent BaH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Ba–H bond lengths are 2.87 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent BaH12 cuboctahedra. All Ru–H bond lengths are 1.73 Å. H1- is bonded to four equivalent Ba2+ and one Ru2+ atom to form a mixture of face, edge, and corner-sharing HBa4Ru square pyramids.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1285094
• Report Number(s): mp-697038
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ba2H6Ru
Ba-H-Ru